3-(phenylmethyl)sulfonyl-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide

Systemtic Name: 3-(phenylmethyl)sulfonyl-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide Openeye Name: 3-benzylsulfonyl-N-(6-isopropyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: 3-(phenylmethyl)sulfonyl-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 3-benzylsulfonyl-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-benzylsulfonyl-N-(6-isopropyl-3-propargyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C23H24N2O3S2/c1-4-13-25-20-11-10-19(17(2)3)15-21(20)29-23(25)24-22(26)12-14-30(27,28)16-18-8-6-5-7-9-18/h1,5-11,15,17H,12-14,16H2,2-3H3